data_6106
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 6106
_Entry.Title
;
NMR structure of cross-reactive peptides from Homo sapiens
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2004-02-19
_Entry.Accession_date 2004-02-19
_Entry.Last_release_date 2004-04-06
_Entry.Original_release_date 2004-04-06
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 2.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 M. Soares . R. . 6106
2 P. Bisch . M. . 6106
3 A. 'Campos de Carvalho' . C. . 6106
4 A. Valente . P. . 6106
5 F. Almeida . C.L. . 6106
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 6106
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 61 6106
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2004-04-06 2004-02-19 original author . 6106
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 6107 'peptide from Leishmania braziliensis.' 6106
PDB 1S4J 'BMRB Entry Tracking System' 6106
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 6106
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 14988012
_Citation.Full_citation .
_Citation.Title 'Correlation between conformation and antibody binding: NMR structure of cross-reactive peptides from T. cruzi, Human and L. braziliensis'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'FEBS Lett.'
_Citation.Journal_name_full .
_Citation.Journal_volume 560
_Citation.Journal_issue 1-3
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first 134
_Citation.Page_last 140
_Citation.Year 2004
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 M. Soares . R. . 6106 1
2 P. Bisch . M. . 6106 1
3 A. 'Campos de Carvalho' . C. . 6106 1
4 A. Valente . P. . 6106 1
5 F. Almeida . C.L. . 6106 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'antigenic peptide' 6106 1
'Chagas disease' 6106 1
'ribosomal p2 protein' 6106 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_60S-ARP-P2
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_60S-ARP-P2
_Assembly.Entry_ID 6106
_Assembly.ID 1
_Assembly.Name '60S acidic ribosomal protein P2'
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'not present'
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Assembly_type.Type
_Assembly_type.Entry_ID
_Assembly_type.Assembly_ID
monomer 6106 1
stop_
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 '60S acidic ribosomal protein P2' 1 $60S-ARP-P2 . . . native . . . . . 6106 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
. PDB 1S4J . . . . . . 6106 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
'60S acidic ribosomal protein P2' abbreviation 6106 1
'60S acidic ribosomal protein P2' system 6106 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_60S-ARP-P2
_Entity.Sf_category entity
_Entity.Sf_framecode 60S-ARP-P2
_Entity.Entry_ID 6106
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name '60S acidic ribosomal protein P2'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code EESDDDMGFGLFD
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 13
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'60S acidic ribosomal protein P2' abbreviation 6106 1
'60S acidic ribosomal protein P2' common 6106 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . GLU . 6106 1
2 . GLU . 6106 1
3 . SER . 6106 1
4 . ASP . 6106 1
5 . ASP . 6106 1
6 . ASP . 6106 1
7 . MET . 6106 1
8 . GLY . 6106 1
9 . PHE . 6106 1
10 . GLY . 6106 1
11 . LEU . 6106 1
12 . PHE . 6106 1
13 . ASP . 6106 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLU 1 1 6106 1
. GLU 2 2 6106 1
. SER 3 3 6106 1
. ASP 4 4 6106 1
. ASP 5 5 6106 1
. ASP 6 6 6106 1
. MET 7 7 6106 1
. GLY 8 8 6106 1
. PHE 9 9 6106 1
. GLY 10 10 6106 1
. LEU 11 11 6106 1
. PHE 12 12 6106 1
. ASP 13 13 6106 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 6106
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $60S-ARP-P2 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6106 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source
_Entity_experimental_src_list.Entry_ID 6106
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $60S-ARP-P2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6106 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 6106
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 '60S acidic ribosomal protein P2' . . . 1 $60S-ARP-P2 . . 2 . . mM . . . . 6106 1
2 'phosphate buffer' . . . . . . . 10 . . mM . . . . 6106 1
3 H2O . . . . . . . 90 . . % . . . . 6106 1
4 D2O . . . . . . . 10 . . % . . . . 6106 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_cond_1
_Sample_condition_list.Entry_ID 6106
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 10 . mM 6106 1
pH 5.5 . n/a 6106 1
pressure 1 . atm 6106 1
temperature 278 . K 6106 1
stop_
save_
############################
# Computer software used #
############################
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 6106
_Software.ID 1
_Software.Name NMRPipe
_Software.Version 2.1
_Software.Details Delaglio
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 6106 1
stop_
save_
save_NMRView
_Software.Sf_category software
_Software.Sf_framecode NMRView
_Software.Entry_ID 6106
_Software.ID 2
_Software.Name NMRView
_Software.Version 5.03
_Software.Details 'Bruce A. Johnson'
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 6106 2
stop_
save_
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 6106
_Software.ID 3
_Software.Name CNS
_Software.Version 1.1
_Software.Details Brunger
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 6106 3
'structure solution' 6106 3
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer
_NMR_spectrometer.Entry_ID 6106
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DRX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 400
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 6106
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 NMR_spectrometer Bruker DRX . 400 . . . 6106 1
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 6106
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6106 1
2 '2D TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6106 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference
_Chem_shift_reference.Entry_ID 6106
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6106 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 6106
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
. . 1 $sample_1 . 6106 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 GLU H H 1 8.729 0.01 . 1 . . . . . . . . 6106 1
2 . 1 1 2 2 GLU HA H 1 4.086 0.01 . 1 . . . . . . . . 6106 1
3 . 1 1 2 2 GLU HB3 H 1 1.805 0.01 . 2 . . . . . . . . 6106 1
4 . 1 1 2 2 GLU HB2 H 1 1.683 0.01 . 2 . . . . . . . . 6106 1
5 . 1 1 2 2 GLU HG3 H 1 2.110 0.01 . 2 . . . . . . . . 6106 1
6 . 1 1 2 2 GLU HG2 H 1 2.079 0.01 . 2 . . . . . . . . 6106 1
7 . 1 1 3 3 SER H H 1 8.396 0.01 . 1 . . . . . . . . 6106 1
8 . 1 1 3 3 SER HA H 1 4.087 0.01 . 1 . . . . . . . . 6106 1
9 . 1 1 3 3 SER HB3 H 1 3.592 0.01 . 2 . . . . . . . . 6106 1
10 . 1 1 3 3 SER HB2 H 1 3.516 0.01 . 2 . . . . . . . . 6106 1
11 . 1 1 4 4 ASP H H 1 8.321 0.01 . 1 . . . . . . . . 6106 1
12 . 1 1 4 4 ASP HA H 1 4.299 0.01 . 1 . . . . . . . . 6106 1
13 . 1 1 4 4 ASP HB3 H 1 2.451 0.01 . 2 . . . . . . . . 6106 1
14 . 1 1 4 4 ASP HB2 H 1 2.418 0.01 . 2 . . . . . . . . 6106 1
15 . 1 1 5 5 ASP H H 1 8.244 0.01 . 1 . . . . . . . . 6106 1
16 . 1 1 5 5 ASP HA H 1 4.306 0.01 . 1 . . . . . . . . 6106 1
17 . 1 1 5 5 ASP HB3 H 1 2.451 0.01 . 2 . . . . . . . . 6106 1
18 . 1 1 5 5 ASP HB2 H 1 2.418 0.01 . 2 . . . . . . . . 6106 1
19 . 1 1 6 6 ASP H H 1 8.058 0.01 . 1 . . . . . . . . 6106 1
20 . 1 1 6 6 ASP HA H 1 4.285 0.01 . 1 . . . . . . . . 6106 1
21 . 1 1 6 6 ASP HB3 H 1 2.481 0.01 . 2 . . . . . . . . 6106 1
22 . 1 1 6 6 ASP HB2 H 1 2.397 0.01 . 2 . . . . . . . . 6106 1
23 . 1 1 7 7 MET H H 1 8.108 0.01 . 1 . . . . . . . . 6106 1
24 . 1 1 7 7 MET HA H 1 4.109 0.01 . 1 . . . . . . . . 6106 1
25 . 1 1 7 7 MET HB3 H 1 1.756 0.01 . 2 . . . . . . . . 6106 1
26 . 1 1 7 7 MET HB2 H 1 1.681 0.01 . 2 . . . . . . . . 6106 1
27 . 1 1 7 7 MET HG3 H 1 2.309 0.01 . 2 . . . . . . . . 6106 1
28 . 1 1 7 7 MET HG2 H 1 2.187 0.01 . 2 . . . . . . . . 6106 1
29 . 1 1 8 8 GLY H H 1 8.118 0.01 . 1 . . . . . . . . 6106 1
30 . 1 1 8 8 GLY HA2 H 1 3.537 0.01 . 2 . . . . . . . . 6106 1
31 . 1 1 9 9 PHE H H 1 7.884 0.01 . 1 . . . . . . . . 6106 1
32 . 1 1 9 9 PHE HA H 1 4.275 0.01 . 1 . . . . . . . . 6106 1
33 . 1 1 9 9 PHE HB3 H 1 2.880 0.01 . 2 . . . . . . . . 6106 1
34 . 1 1 9 9 PHE HB2 H 1 2.725 0.01 . 2 . . . . . . . . 6106 1
35 . 1 1 9 9 PHE HD1 H 1 7.037 0.01 . 3 . . . . . . . . 6106 1
36 . 1 1 9 9 PHE HE1 H 1 7.289 0.01 . 3 . . . . . . . . 6106 1
37 . 1 1 9 9 PHE HZ H 1 7.386 0.01 . 1 . . . . . . . . 6106 1
38 . 1 1 9 9 PHE HE2 H 1 7.099 0.01 . 3 . . . . . . . . 6106 1
39 . 1 1 9 9 PHE HD2 H 1 6.931 0.01 . 3 . . . . . . . . 6106 1
40 . 1 1 10 10 GLY H H 1 8.196 0.01 . 1 . . . . . . . . 6106 1
41 . 1 1 10 10 GLY HA2 H 1 3.493 0.01 . 2 . . . . . . . . 6106 1
42 . 1 1 11 11 LEU H H 1 7.673 0.01 . 1 . . . . . . . . 6106 1
43 . 1 1 11 11 LEU HA H 1 3.937 0.01 . 1 . . . . . . . . 6106 1
44 . 1 1 11 11 LEU HB3 H 1 1.137 0.01 . 2 . . . . . . . . 6106 1
45 . 1 1 11 11 LEU HB2 H 1 1.033 0.01 . 2 . . . . . . . . 6106 1
46 . 1 1 11 11 LEU HD11 H 1 0.522 0.01 . 2 . . . . . . . . 6106 1
47 . 1 1 11 11 LEU HD12 H 1 0.522 0.01 . 2 . . . . . . . . 6106 1
48 . 1 1 11 11 LEU HD13 H 1 0.522 0.01 . 2 . . . . . . . . 6106 1
49 . 1 1 12 12 PHE H H 1 8.054 0.01 . 1 . . . . . . . . 6106 1
50 . 1 1 12 12 PHE HA H 1 4.389 0.01 . 1 . . . . . . . . 6106 1
51 . 1 1 12 12 PHE HB3 H 1 2.939 0.01 . 2 . . . . . . . . 6106 1
52 . 1 1 12 12 PHE HB2 H 1 2.624 0.01 . 2 . . . . . . . . 6106 1
53 . 1 1 12 12 PHE HD1 H 1 6.931 0.01 . 3 . . . . . . . . 6106 1
54 . 1 1 12 12 PHE HE1 H 1 7.037 0.01 . 3 . . . . . . . . 6106 1
55 . 1 1 12 12 PHE HZ H 1 7.582 0.01 . 1 . . . . . . . . 6106 1
56 . 1 1 12 12 PHE HE2 H 1 7.144 0.01 . 3 . . . . . . . . 6106 1
57 . 1 1 12 12 PHE HD2 H 1 6.999 0.01 . 3 . . . . . . . . 6106 1
58 . 1 1 13 13 ASP H H 1 7.731 0.01 . 1 . . . . . . . . 6106 1
59 . 1 1 13 13 ASP HA H 1 4.131 0.01 . 1 . . . . . . . . 6106 1
60 . 1 1 13 13 ASP HB3 H 1 2.444 0.01 . 2 . . . . . . . . 6106 1
61 . 1 1 13 13 ASP HB2 H 1 2.385 0.01 . 2 . . . . . . . . 6106 1
stop_
save_